MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening

by Sauton, Nicolas, Lagorce, David, Villoutreix, Bruno O, Miteva, Maria A
Published 2008

DG-AMMOS: A New tool to generate 3D conformation of small molecules using Distance Geometry and Automated Molecular Mechanics Optimization for in silico Screening

by Lagorce, David, Pencheva, Tania, Villoutreix, Bruno O, Miteva, Maria A
Published 2009

Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors

by Lagorce, David, Douguet, Dominique, Miteva, Maria A., Villoutreix, Bruno O.
Published in Sci Rep (2017)

A leap into the chemical space of protein-protein interaction inhibitors

by Villoutreix, Bruno O., Labbé, Céline, Lagorce, David, Laconde, Guillaume, Sperandio, Olivier
Published 2012

FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects

by Lagorce, David, Sperandio, Olivier, Galons, Hervé, Miteva, Maria A, Villoutreix, Bruno O
Published 2008

AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening

by Pencheva, Tania, Lagorce, David, Pajeva, Ilza, Villoutreix, Bruno O, Miteva, Maria A
Published 2008

Rational Design of Small-Molecule Stabilizers of Spermine Synthase Dimer by Virtual Screening and Free Energy-Based Approach

by Zhang, Zhe, Martiny, Virginie, Lagorce, David, Ikeguchi, Yoshihiko, Alexov, Emil, Miteva, Maria A.
Published 2014

FAF-Drugs3: a web server for compound property calculation and chemical library design

by Lagorce, David, Sperandio, Olivier, Baell, Jonathan B., Miteva, Maria A., Villoutreix, Bruno O.
Published in Nucleic Acids Res (2015)

Tyrosine Kinase Syk Non-Enzymatic Inhibitors and Potential Anti-Allergic Drug-Like Compounds Discovered by Virtual and In Vitro Screening

by Villoutreix, Bruno O., Laconde, Guillaume, Lagorce, David, Martineau, Pierre, Miteva, Maria A., Dariavach, Piona
Published 2011

In Silico Mechanistic Profiling to Probe Small Molecule Binding to Sulfotransferases

by Martiny, Virginie Y., Carbonell, Pablo, Lagorce, David, Villoutreix, Bruno O., Moroy, Gautier, Miteva, Maria A.
Published 2013

Identification and functional characterization of a new member of the human Mcm protein family: hMcm8

by Gozuacik, Devrim, Chami, Mounia, Lagorce, David, Faivre, Jamila, Murakami, Yoshiki, Poch, Olivier, Biermann, Esther, Knippers, Rolf, Bréchot, Christian, Paterlini-Bréchot, Patrizia
Published 2003

Drug-Like Protein–Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology

by Villoutreix, Bruno O, Kuenemann, Melaine A, Poyet, Jean-Luc, Bruzzoni-Giovanelli, Heriberto, Labbé, Céline, Lagorce, David, Sperandio, Olivier, Miteva, Maria A
Published 2014

MTiOpenScreen: a web server for structure-based virtual screening

by Labbé, Céline M., Rey, Julien, Lagorce, David, Vavruša, Marek, Becot, Jérome, Sperandio, Olivier, Villoutreix, Bruno O., Tufféry, Pierre, Miteva, Maria A.
Published in Nucleic Acids Res (2015)

In silico model of the human ClC-Kb chloride channel: pore mapping, biostructural pathology and drug screening

by Louet, Maxime, Bitam, Sara, Bakouh, Naziha, Bignon, Yohan, Planelles, Gabrielle, Lagorce, David, Miteva, Maria A., Eladari, Dominique, Teulon, Jacques, Villoutreix, Bruno O.
Published in Sci Rep (2017)

iPPI-DB: an online database of modulators of protein–protein interactions

by Labbé, Céline M., Kuenemann, Mélaine A., Zarzycka, Barbara, Vriend, Gert, Nicolaes, Gerry A.F., Lagorce, David, Miteva, Maria A., Villoutreix, Bruno O., Sperandio, Olivier
Published in Nucleic Acids Res (2016)

Serca1 Truncated Proteins Unable to Pump Calcium Reduce the Endoplasmic Reticulum Calcium Concentration and Induce Apoptosis

by Chami, Mounia, Gozuacik, Devrim, Lagorce, David, Brini, Marisa, Falson, Pierre, Peaucellier, Gérard, Pinton, Paolo, Lecoeur, Hervé, Gougeon, Marie-Lyse, le Maire, Marc, Rizzuto, Rosario, Bréchot, Christian, Paterlini-Bréchot, Patrizia
Published 2001

Fr-PPIChem: An Academic Compound Library Dedicated to Protein-Protein Interactions

by Bosc, Nicolas, Muller, Christophe, Hoffer, Laurent, Lagorce, David, Bourg, Stéphane, Derviaux, Carine, Gourdel, Marie-Edith, Rain, Jean-Christophe, Miller, Thomas W., Villoutreix, Bruno O., Miteva, Maria A., Bonnet, Pascal, Morelli, Xavier, Sperandio, Olivier, Roche, Philippe
Published in ACS Chem Biol (2020)

The Human Phenotype Ontology in 2021

by Köhler, Sebastian, Gargano, Michael, Matentzoglu, Nicolas, Carmody, Leigh C, Lewis-Smith, David, Vasilevsky, Nicole A, Danis, Daniel, Balagura, Ganna, Baynam, Gareth, Brower, Amy M, Callahan, Tiffany J, Chute, Christopher G, Est, Johanna L, Galer, Peter D, Ganesan, Shiva, Griese, Matthias, Haimel, Matthias, Pazmandi, Julia, Hanauer, Marc, Harris, Nomi L, Hartnett, Michael J, Hastreiter, Maximilian, Hauck, Fabian, He, Yongqun, Jeske, Tim, Kearney, Hugh, Kindle, Gerhard, Klein, Christoph, Knoflach, Katrin, Krause, Roland, Lagorce, David, McMurry, Julie A, Miller, Jillian A, Munoz-Torres, Monica C, Peters, Rebecca L, Rapp, Christina K, Rath, Ana M, Rind, Shahmir A, Rosenberg, Avi Z, Segal, Michael M, Seidel, Markus G, Smedley, Damian, Talmy, Tomer, Thomas, Yarlalu, Wiafe, Samuel A, Xian, Julie, Yüksel, Zafer, Helbig, Ingo, Mungall, Christopher J, Haendel, Melissa A, Robinson, Peter N
Published in Nucleic Acids Res (2020)